SCHEMBL4237629

SCHEMBL4237629

CC(C)CC1NC(=O)C(C(=O)NCc2ccccc2)=C1O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 4/20 0.44
MAPT P10636 1/20 0.44
NR0B1 P51843 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
PAX8 Q06710 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MMP8 P22894 1/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4245625 0.86 MEN1 (0.48) KMT2AALDH1A1MEN1MAPTSMN1; SMN2
SCHEMBL4241486 0.83 HDAC1 (0.44) ALDH1A1MAPTRAB9ANPC1
SCHEMBL13752585 0.80 POLB (0.35) KMT2AALDH1A1MEN1MAPTSMN1; SMN2
SCHEMBL13743430 0.80 NR0B1 (0.51) ALDH1A1NR0B1RAB9ANPC1MMP8
SCHEMBL4237596 0.79 CACNA1G (0.51) KMT2AALDH1A1MEN1MAPTNR0B1
SCHEMBL4240492 0.79 HPGD (0.50) KMT2AALDH1A1MEN1MAPTSMN1; SMN2
SCHEMBL4244153 0.75 KDM4E (0.41) KMT2AALDH1A1MEN1NR0B1KDM4E
SCHEMBL9867135 0.75 KDM4E (0.41) KMT2AALDH1A1MEN1NR0B1KDM4E
SCHEMBL13743252 0.75 KMT2A (0.46) KMT2AALDH1A1MEN1MAPTHPGD
SCHEMBL13752576 0.74 TMEM97 (0.41) KMT2AALDH1A1MEN1MAPTSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 US disclosed
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 US disclosed
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE FDPS, UMPS, GGPS1 KMT2A 4780/4885ALDH1A1 3119/4885MEN1 2345/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.